1-[4-(diethylamino)butyl]-2,3-dimethylguanidine

C11H26N4 — CID 110917279

IUPAC1-[4-(diethylamino)butyl]-2,3-dimethylguanidine
SMILESCCN(CC)CCCCN/C(=N/C)NC
InChIInChI=1S/C11H26N4/c1-5-15(6-2)10-8-7-9-14-11(12-3)13-4/h5-10H2,1-4H3,(H2,12,13,14)
InChIKeyJUIBOCBHTGHWGP-UHFFFAOYSA-N
MW214.36 g/mol
LogP0.90
Rot. Bonds7

About 1-[4-(diethylamino)butyl]-2,3-dimethylguanidine

1-[4-(diethylamino)butyl]-2,3-dimethylguanidine (PubChem CID 110917279) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 1-[4-(diethylamino)butyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[4-(diethylamino)butyl]-2,3-dimethylguanidine
PubChem CID110917279
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name1-[4-(diethylamino)butyl]-2,3-dimethylguanidine
SMILESCCN(CC)CCCCN/C(=N/C)NC
InChIInChI=1S/C11H26N4/c1-5-15(6-2)10-8-7-9-14-11(12-3)13-4/h5-10H2,1-4H3,(H2,12,13,14)
InChIKeyJUIBOCBHTGHWGP-UHFFFAOYSA-N
XLogP0.90
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111000953
1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178109
1-[4-(diethylamino)butyl]-3-(2-ethylbutyl)-2-methylguanidine
CID 111890669
1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111691494
1-[4-(diethylamino)butyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627203
1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide
CID 110918889
1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943172
1-[3-(diethylamino)propyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111945232
1-[3-(cyclopropylmethoxy)propyl]-3-[4-(diethylamino)butyl]-2-methylguanidine
CID 111391801
1-[4-(diethylamino)butyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111950729
1-[5-(diethylamino)pentan-2-yl]-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 110998176
1-[4-(diethylamino)butyl]-3-[2-(3,5-dimethylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111648983

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)butyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[4-(diethylamino)butyl]-2,3-dimethylguanidine (CID 110917279) is 1-[4-(diethylamino)butyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[4-(diethylamino)butyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[4-(diethylamino)butyl]-2,3-dimethylguanidine is CCN(CC)CCCCN/C(=N/C)NC.
What is the InChIKey of 1-[4-(diethylamino)butyl]-2,3-dimethylguanidine?
The InChIKey is JUIBOCBHTGHWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-5-15(6-2)10-8-7-9-14-11(12-3)13-4/h5-10H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-[4-(diethylamino)butyl]-2,3-dimethylguanidine?
1-[4-(diethylamino)butyl]-2,3-dimethylguanidine has a molecular weight of 214.36 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)butyl]-2,3-dimethylguanidine is sourced from PubChem (CID 110917279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).